SCHEMBL17545890

SCHEMBL17545890

CCOC(=O)CN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ HTR6 P50406 5/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.32
▸ RPLP1 P05386 1/20 0.32
▸ RPLP0 P05388 1/20 0.32
▸ RPS17 P08708 1/20 0.32
▸ RPSA P08865 1/20 0.32
▸ RPS2 P15880 1/20 0.32
▸ RPL35A P18077 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2729078 0.90 JAK2 (0.37) ALDH1A1TP53L3MBTL1ALOX15MAPK1
SCHEMBL17545892 0.90 JAK2 (0.37) ALDH1A1TP53L3MBTL1ALOX15MAPK1
SCHEMBL17545901 0.89 TP53 (0.46) TP53L3MBTL1CHEK1KCNH2HTR6
SCHEMBL6128820 0.89 TP53 (0.46) TP53L3MBTL1CHEK1KCNH2HTR6
SCHEMBL17545911 0.88 TP53 (0.39) TP53L3MBTL1CHEK1KCNH2HTR6
SCHEMBL6128817 0.88 TP53 (0.39) TP53L3MBTL1CHEK1KCNH2HTR6
SCHEMBL6128888 0.87 CHEK1 (0.40) TP53L3MBTL1CHEK1KCNH2HTR6
SCHEMBL17545897 0.86 L3MBTL1 (0.42) ALDH1A1POLBTP53L3MBTL1ALOX15
SCHEMBL1531533 0.83 RPLP1 (0.40) L3MBTL1KCNH2HTR6JAK2JAK1
SCHEMBL17545924 0.83 HTR6 (0.37) ALDH1A1POLBTP53L3MBTL1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK ALDH1A1 3902/4885POLB 3612/4885MAPT 1648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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